[2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate

Systemtic Name: [2-(3-nitrophenyl)-2-oxidanylidene-ethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Openeye Name: [2-(3-nitrophenyl)-2-oxo-ethyl] 3,6-dimethyl-2-(p-tolyl)quinoline-4-carboxylate CAS Name: 3,6-dimethyl-2-(4-methylphenyl)-4-quinolinecarboxylic acid [2-(3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-nitrophenyl)-2-oxoethyl] 3,6-dimethyl-2-(4-methylphenyl)quinoline-4-carboxylate Traditional Name: 3,6-dimethyl-2-(p-tolyl)cinchoninic acid [2-keto-2-(3-nitrophenyl)ethyl] ester Formula: C27H22N2O5 MolecularWeight: 454.47398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=C3C=C(C=CC3=N2)C)C(=O)OCC(=O)C4=CC(=CC=C4)[N+](=O)[O-])C

InChI

InChI=1S/C27H22N2O5/c1-16-7-10-19(11-8-16)26-18(3)25(22-13-17(2)9-12-23(22)28-26)27(31)34-15-24(30)20-5-4-6-21(14-20)29(32)33/h4-14H,15H2,1-3H3